SCHEMBL4742949

SCHEMBL4742949

CC(=O)C(N=Nc1c(C#N)cnn1-c1ncccn1)C(=O)Nc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.39
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 1/20 0.37
GAA P10253 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CSNK2A1 P68400 1/20 0.34
CXCR2 P25025 1/20 0.33
PTGS1 P23219 2/20 0.32
PTGS2 P35354 2/20 0.32
GFER P55789 1/20 0.32
GRM4 Q14833 1/20 0.32
ADRB2 P07550 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4781297 0.96 PANK3 (0.34) PKMTSHRCYP1A2CYP2C19PTGS1
SCHEMBL4743047 0.89 PANK3 (0.30) PKMTSHR
SCHEMBL4742936 0.88 LMNA (0.38) PKMTSHRGAAKDM4EALDH1A1
SCHEMBL4742942 0.87 HTT (0.36) GAAKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL4742945 0.86 IRAK4 (0.38) PKMKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL4742957 0.86 GFER (0.40) TSHRCYP1A2CYP2C19KDM4EALDH1A1
SCHEMBL4742963 0.85 HTT (0.36) GAAALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL4781307 0.85 GRM4 (0.32) GAAKDM4EALDH1A1HPGDPTGS1
SCHEMBL4768039 0.85 THRB (0.32) CSNK2A1
SCHEMBL4742955 0.85 KDM4E (0.41) TSHRCYP1A2CYP2C19KDM4EALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8177861-B2 AZO pigment, pigment dispersion containing the AZO pigment, and coloring composition FUJIFILM CORPORATION (JP) 2012-05-15 US disclosed
US-8177861-B2 AZO pigment, pigment dispersion containing the AZO pigment, and coloring composition FUJIFILM CORPORATION (JP) 2012-05-15 US disclosed
US-20110021764-A1 AZO PIGMENT, PIGMENT DISPERSION CONTAINING THE AZO PIGMENT, AND COLORING COMPOSITION FUJIFILM CORPORATION (JP) 2011-01-27 US disclosed
US-20110021764-A1 AZO PIGMENT, PIGMENT DISPERSION CONTAINING THE AZO PIGMENT, AND COLORING COMPOSITION FUJIFILM CORPORATION (JP) 2011-01-27 US disclosed